1-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[4-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]phenyl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[4-[(4,6-dimethoxypyrimidin-2-yl)methylthio]phenyl]-3-tosyl-urea Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)SCC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)SCC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C21H22N4O5S2/c1-14-4-10-17(11-5-14)32(27,28)25-21(26)22-15-6-8-16(9-7-15)31-13-18-23-19(29-2)12-20(24-18)30-3/h4-12H,13H2,1-3H3,(H2,22,25,26)